6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile

C10H6FNO2 — CID 55271494

IUPAC6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile
SMILESN#Cc1cc2c(cc1F)C(=O)CCO2
InChIInChI=1S/C10H6FNO2/c11-8-4-7-9(13)1-2-14-10(7)3-6(8)5-12/h3-4H,1-2H2
InChIKeyNWXBUXVTSQHYLS-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.66
Rot. Bonds

About 6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile

6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile (PubChem CID 55271494) has the molecular formula C10H6FNO2 and a molecular weight of 191.16 g/mol. Its IUPAC name is 6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile.

Molecular Properties

Compound Name6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile
PubChem CID55271494
Molecular FormulaC10H6FNO2
Molecular Weight191.16 g/mol
Exact Mass191.04
IUPAC Name6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile
SMILESN#Cc1cc2c(cc1F)C(=O)CCO2
InChIInChI=1S/C10H6FNO2/c11-8-4-7-9(13)1-2-14-10(7)3-6(8)5-12/h3-4H,1-2H2
InChIKeyNWXBUXVTSQHYLS-UHFFFAOYSA-N
XLogP1.66
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile?
The IUPAC name of 6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile (CID 55271494) is 6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile.
What is the SMILES notation for 6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile?
The canonical SMILES for 6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile is N#Cc1cc2c(cc1F)C(=O)CCO2.
What is the InChIKey of 6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile?
The InChIKey is NWXBUXVTSQHYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2/c11-8-4-7-9(13)1-2-14-10(7)3-6(8)5-12/h3-4H,1-2H2.
What are the key properties of 6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile?
6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile has a molecular weight of 191.16 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile is sourced from PubChem (CID 55271494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).